Compound Detail
CHEMBL32381
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O=P(O)(O)C(CCCCCCc1ccccc1)(O[C@@H]1CC[C@@H](O)C[C@@H]1O)P(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL32381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USKRCTVHUUUFMN-FGTMMUONSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
2.48
ALogP
5
HBA
6
HBD
164.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol monophosphatase 1 CHEMBL4505 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inositol monophosphatase 1 | IC50 | = | 2500.0 | nM | 5.6 | Tested for the inhibitory activity against recombinant bovine brain myo-inositol... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80864-7 | Inositol monophosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine